[2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate

C14H22N4O2 — CID 67568014

IUPAC[2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate
SMILESCCCCN(C)C=Nc1ncccc1OC(=O)N(C)C
InChIInChI=1S/C14H22N4O2/c1-5-6-10-18(4)11-16-13-12(8-7-9-15-13)20-14(19)17(2)3/h7-9,11H,5-6,10H2,1-4H3
InChIKeyUNMPIRZAMNGNFP-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.53
Rot. Bonds6

About [2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate

[2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate (PubChem CID 67568014) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate
PubChem CID67568014
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate
SMILESCCCCN(C)C=Nc1ncccc1OC(=O)N(C)C
InChIInChI=1S/C14H22N4O2/c1-5-6-10-18(4)11-16-13-12(8-7-9-15-13)20-14(19)17(2)3/h7-9,11H,5-6,10H2,1-4H3
InChIKeyUNMPIRZAMNGNFP-UHFFFAOYSA-N
XLogP2.53
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074951
[2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 70432937
[2-[[9-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-methylamino]nonyl-methylamino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;perchloric acid
CID 88659974
2-[butyl-(3-propoxy-2-pyridinyl)amino]ethanol
CID 113371170
[2-(dimethylamino)-3-pyridinyl] octanoate
CID 154635229
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-(2-propylpentanoyloxymethyl)azanium chloride
CID 17065341
[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate
CID 24836204
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium
CID 165360156
[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate
CID 140575764
[2-[[16-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]hexadecyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
CID 57129302
[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074957
5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol
CID 107203500

Frequently Asked Questions

What is the IUPAC name of [2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate?
The IUPAC name of [2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate (CID 67568014) is [2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate is CCCCN(C)C=Nc1ncccc1OC(=O)N(C)C.
What is the InChIKey of [2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate?
The InChIKey is UNMPIRZAMNGNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-6-10-18(4)11-16-13-12(8-7-9-15-13)20-14(19)17(2)3/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of [2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate?
[2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate has a molecular weight of 278.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate is sourced from PubChem (CID 67568014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).